ALANINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: OF5P57N2ZX

Structure
InChI Key QNAYBMKLOCPYGJ-UHFFFAOYSA-N
Smile CC(N)C(=O)O
InChI
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7NO2
Molecular Weight 89.09
AlogP -0.58
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 63.32
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 6.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 5.399
Enzyme
- - - - 100
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -21.28--3.75
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- 198000 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC36 family of proton-coupled amino acid transporters
- - - 2800000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Coronary Disease 3 D003327 ClinicalTrials
Asthma 2 D001249 ClinicalTrials
Fructose Intolerance 2 D005633 ClinicalTrials
Severe Acute Respiratory Syndrome 1 D045169 ClinicalTrials
Cognitive Dysfunction 1 D060825 ClinicalTrials
Glioma 1 D005910 ClinicalTrials
Alzheimer Disease 1 D000544 ClinicalTrials

Cross References

Resources Reference
ChEBI 66916
ChEMBL CHEMBL12198
DrugCentral 4306
EPA CompTox DTXSID6031255
FDA SRS OF5P57N2ZX
Human Metabolome Database HMDB0062251
KEGG C01401
SureChEMBL SCHEMBL31
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